5-(hydroxymethyl)-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-(hydroxymethyl)-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-(hydroxymethyl)-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-(hydroxymethyl)-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-(hydroxymethyl)-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-5-methylol-1-phenyl-pyrazole-4-carbonitrile Formula: C12H11N3O MolecularWeight: 213.23524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CO)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C#N)CO)C2=CC=CC=C2

InChI

InChI=1S/C12H11N3O/c1-9-11(7-13)12(8-16)15(14-9)10-5-3-2-4-6-10/h2-6,16H,8H2,1H3